SCHEMBL9807306

SCHEMBL9807306

CC(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(C)C

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHA2 P29317 2/20 0.62
KDM1A O60341 3/20 0.58
CALCRL Q16602 1/20 0.55
TFPI P10646 6/20 0.55
KISS1R Q969F8 2/20 0.54
NMUR2 Q9GZQ4 1/20 0.53
NMUR1 Q9HB89 1/20 0.53
MAOB P27338 1/20 0.53
KDM5A P29375 1/20 0.53
KDM1B Q8NB78 1/20 0.53
OPRM1 P35372 4/20 0.53
OPRK1 P41145 4/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9807252 1.00 EPHA2 (0.62) EPHA2KDM1ACALCRLTFPIKISS1R
SCHEMBL9807269 0.96 EPHA2 (0.63) EPHA2KDM1ATFPINMUR2NMUR1
SCHEMBL9807268 0.95 KDM1A (0.57) EPHA2KDM1ATFPIKISS1ROPRM1
SCHEMBL9551264 0.95 EPHA2 (0.60) EPHA2KDM1ACALCRLTFPIKISS1R
SCHEMBL9807262 0.94 EPHA2 (0.61) EPHA2KDM1ATFPINMUR2NMUR1
SCHEMBL9807256 0.92 EPHA2 (0.59) EPHA2KDM1ACALCRLMAOBKDM5A
SCHEMBL9691456 0.91 EPHA2 (0.61) EPHA2KDM1ACALCRLTFPIOPRM1
SCHEMBL9807257 0.91 NTSR1 (0.62) EPHA2
SCHEMBL9807265 0.89 EPHA2 (0.61) EPHA2KDM1ANMUR2NMUR1MAOB
SCHEMBL9807235 0.89 EPHA2 (0.64) EPHA2NMUR2NMUR1OPRM1OPRK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0146266-B1 ENZYME-RESISTANT IMMUNOMODULATORY PEPTIDES ORTHO PHARMACEUTICAL CORPORATION (US) 1991-05-22 EP disclosed
EP-0146266-A2 Enzyme-resistant immunomodulatory peptides ORTHO PHARMACEUTICAL CORPORATION (US) 1985-06-26 EP disclosed